Products for Research Use Only

TCO-PEG3-acid

CAT: 0804-HY-140015-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-140015-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
TCO-PEG3-acid is a click chemistry reagent that contains a TCO group that can undergo an inverse electron demand Diels-Alder reaction (iEDDA) with molecules containing Tetrazine groups[1].
CAS Number
2141981-86-2
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Biochemical Assay Reagents
Type
Reference compound
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/tco-peg3-acid.html
Purity
98.0
Solubility
DMSO : 250 mg/mL (ultrasonic)
Smiles
O=C(OC1CC/C=C\CCC1)NCCOCCOCCOCCC(O)=O
Molecular Formula
C18H31NO7
Molecular Weight
373.44
Precautions
H302, H315, H319, H335
References & Citations
[1]Mboyi CD, et a. Bridge-Clamp Bis (tetrazine) s with [N]8 π-Stacking Interactions and Azido-s-Aryl Tetrazines: Two Classes of Doubly Clickable Tetrazines. Angew Chem Int Ed Engl. 2020 Jan 13;59 (3) :1149-1154.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

TCO-PEG3-acid
CAS Number2141981-86-2
PubChem CID146026234
IUPAC Name3-[2-[2-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC18H31NO7
Molecular Weight373.4
XLogP1.3
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Heavy Atom Count26
Formal Charge0
Complexity414
SMILES
C1C/C=C\CCC(C1)OC(=O)NCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C18H31NO7/c20-17(21)8-10-23-12-14-25-15-13-24-11-9-19-18(22)26-16-6-4-2-1-3-5-7-16/h1-2,16H,3-15H2,(H,19,22)(H,20,21)/b2-1-
InChIKey
LUXDTTWUFRONNF-UPHRSURJSA-N
Chemical Structure
2D Structure
2D structure of TCO-PEG3-acid
CAS: 2141981-86-2
CID: 146026234
Formula: C18H31NO7
MW: 373.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight373.4
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Exact Mass373.21005233
Monoisotopic Mass373.21005233
Topological Polar Surface Area103 Ų
Heavy Atom Count26
Formal Charge0
Complexity414
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes